5-chloro-3-(furan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine

C10H6ClN3O — CID 117141884

IUPAC5-chloro-3-(furan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESClc1cccc2nnc(-c3ccco3)n12
InChIInChI=1S/C10H6ClN3O/c11-8-4-1-5-9-12-13-10(14(8)9)7-3-2-6-15-7/h1-6H
InChIKeyXNGWOUKHGIXOMW-UHFFFAOYSA-N
MW219.63 g/mol
LogP2.64
Rot. Bonds1

About 5-chloro-3-(furan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine

5-chloro-3-(furan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 117141884) has the molecular formula C10H6ClN3O and a molecular weight of 219.63 g/mol. Its IUPAC name is 5-chloro-3-(furan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name5-chloro-3-(furan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID117141884
Molecular FormulaC10H6ClN3O
Molecular Weight219.63 g/mol
Exact Mass219.02
IUPAC Name5-chloro-3-(furan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESClc1cccc2nnc(-c3ccco3)n12
InChIInChI=1S/C10H6ClN3O/c11-8-4-1-5-9-12-13-10(14(8)9)7-3-2-6-15-7/h1-6H
InChIKeyXNGWOUKHGIXOMW-UHFFFAOYSA-N
XLogP2.64
TPSA43.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.63
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-chloro-3-(5-methylfuran-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117141885
7-chloro-3-(furan-2-yl)-[1,2,4]triazolo[4,3-c]pyrimidine
CID 43144429
5-chloro-2-(furan-2-yl)-1-methylimidazole
CID 117259184
6-bromo-3-(furan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 82379941
1-chloro-3-(furan-2-yl)-5-methylimidazo[1,5-a]pyridine
CID 117250495
4-(3-chloro-2-methylphenyl)-3-(furan-2-yl)-5-methylsulfanyl-1,2,4-triazole
CID 3614027
(5-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanethiol
CID 117257045
2-(furan-2-yl)-3,5-dimethylimidazo[1,2-a]pyridine
CID 115403938
3-(furan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde
CID 117143617
4-[2-(5-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]morpholine
CID 117142388
3-[(4-chlorophenyl)methylsulfanyl]-5-(furan-2-yl)-4-methyl-1,2,4-triazole
CID 580582
5-chloro-3-(5-chlorofuran-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 106688182

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(furan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 5-chloro-3-(furan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine (CID 117141884) is 5-chloro-3-(furan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 5-chloro-3-(furan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 5-chloro-3-(furan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine is Clc1cccc2nnc(-c3ccco3)n12.
What is the InChIKey of 5-chloro-3-(furan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is XNGWOUKHGIXOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClN3O/c11-8-4-1-5-9-12-13-10(14(8)9)7-3-2-6-15-7/h1-6H.
What are the key properties of 5-chloro-3-(furan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine?
5-chloro-3-(furan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 219.63 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(furan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 117141884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).